Geometry & MOs

Info

ID:	139598
PubChem CID:	52567947
Reduced:	ClSO3N5C22H24 (1)
Stoich.:	ABC3D5E22F24 (1)
Weight, g/mol:	354.082033
ΔH_f, kcal/mol:	-27.25
Dipole, Da:	10.64
IP(EA), eV:	-9.28(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)/C=C/C2=C(N(N=C2C)CC3=CC=CC=C3)Cl)[C@H]4CCS(=O)(=O)C4

DOS

IR

Vibrations